3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane

C9H16FNO — CID 130481092

IUPAC3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane
SMILESFCCOC1CC2CCC(C1)N2
InChIInChI=1S/C9H16FNO/c10-3-4-12-9-5-7-1-2-8(6-9)11-7/h7-9,11H,1-6H2
InChIKeyDBSWLBBZPVQGHI-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.26
Rot. Bonds3

About 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane

3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 130481092) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane
PubChem CID130481092
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane
SMILESFCCOC1CC2CCC(C1)N2
InChIInChI=1S/C9H16FNO/c10-3-4-12-9-5-7-1-2-8(6-9)11-7/h7-9,11H,1-6H2
InChIKeyDBSWLBBZPVQGHI-UHFFFAOYSA-N
XLogP1.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane (CID 130481092) is 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane is FCCOC1CC2CCC(C1)N2.
What is the InChIKey of 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is DBSWLBBZPVQGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-3-4-12-9-5-7-1-2-8(6-9)11-7/h7-9,11H,1-6H2.
What are the key properties of 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane?
3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 173.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130481092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).